#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m n SER 2 N 0.00 1.32 0.08 1.61 7.64 -1.26 -5.03 113.62 117.97 2e8m n SER 2 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2e8m n SER 2 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2e8m n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2e8m n SER 3 N -3.82 0.03 0.00 6.43 7.64 -1.26 -5.14 113.62 117.50 2e8m n SER 3 Ca -0.09 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2e8m n SER 3 Cb 0.34 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2e8m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8m n GLY 4 N 1.88 1.08 3.39 0.23 0.00 -1.26 -5.08 105.19 105.43 2e8m n GLY 4 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2e8m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e8m s SER 5 N -4.00 3.18 0.03 1.61 1.04 -1.26 -5.07 113.70 109.23 2e8m s SER 5 Ca 0.00 -0.83 -0.31 0.00 0.48 0.00 0.00 55.95 55.29 2e8m s SER 5 Cb 0.00 -0.22 -0.17 0.00 0.10 0.00 0.00 66.02 65.73 2e8m s SER 5 CO 0.00 0.09 1.27 -1.28 0.98 0.00 0.00 173.24 174.30 2e8m h SER 6 N 3.40 -0.93 -3.99 7.02 0.87 -2.08 -3.49 113.55 114.35 2e8m h SER 6 Ca -0.46 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2e8m h SER 6 Cb 1.20 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2e8m h SER 6 CO 0.46 -0.57 -0.01 0.61 -0.53 0.00 0.00 176.83 176.80 2e8m n GLY 7 N -1.01 -1.71 3.69 5.77 0.00 -1.26 -4.88 105.19 105.79 2e8m n GLY 7 Ca -0.14 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 2e8m n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e8m s THR 8 N -1.65 5.35 0.00 2.61 -4.23 -1.26 -4.94 115.64 111.52 2e8m s THR 8 Ca 0.00 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2e8m s THR 8 Cb 0.00 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2e8m s THR 8 CO 0.00 0.36 0.00 -0.38 -0.54 0.00 0.00 174.62 174.06 2e8m n ILE 9 N 4.01 0.00 0.00 2.99 -0.00 -1.26 -5.15 119.36 119.94 2e8m n ILE 9 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 2e8m n ILE 9 Cb 0.52 -0.68 0.00 0.00 -0.00 0.00 0.00 39.64 39.47 2e8m n ILE 9 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2e8m n GLY 10 N 3.30 -1.08 3.55 7.39 0.00 -1.26 -4.99 105.19 112.10 2e8m n GLY 10 Ca 0.00 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 2e8m n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e8m s ARG 11 N 0.00 3.07 0.38 1.61 3.52 -1.26 -5.12 118.95 121.14 2e8m s ARG 11 Ca 0.00 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2e8m s ARG 11 Cb 0.00 -2.70 0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2e8m s ARG 11 CO 0.00 0.52 0.35 -1.13 -0.81 0.00 0.00 175.30 174.23 2e8m n SER 12 N 2.67 1.97 -4.67 -2.12 3.41 -1.26 -5.15 113.62 108.47 2e8m n SER 12 Ca -0.18 -2.21 -0.23 0.00 -0.26 0.00 0.00 58.87 55.99 2e8m n SER 12 Cb 0.53 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 2e8m n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2e8m s ALA 13 N -2.52 3.28 -0.30 7.33 0.00 -1.26 -5.12 121.76 123.18 2e8m s ALA 13 Ca 0.27 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.52 2e8m s ALA 13 Cb -0.02 -0.73 0.08 0.00 0.00 0.00 0.00 23.12 22.45 2e8m s ALA 13 CO 0.17 0.18 -0.01 0.00 0.00 0.00 0.00 175.76 176.10 2e8m s ALA 14 N -2.37 2.52 1.05 0.00 0.00 -1.26 -5.12 121.76 116.59 2e8m s ALA 14 Ca 0.34 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 2e8m s ALA 14 Cb -0.05 -1.74 0.20 0.00 0.00 0.00 0.00 23.12 21.54 2e8m s ALA 14 CO 0.21 -1.46 0.95 0.00 0.00 0.00 0.00 175.76 175.46 2e8m n GLN 15 N 4.43 -1.45 0.00 0.00 10.64 -1.26 -4.98 117.38 124.75 2e8m n GLN 15 Ca -0.05 -0.38 0.00 0.00 -1.83 0.00 0.00 57.00 54.75 2e8m n GLN 15 Cb 0.42 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.61 2e8m n GLN 15 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2e8m n LYS 16 N -4.23 0.00 -4.02 2.61 4.01 -1.26 -5.12 118.16 110.15 2e8m n LYS 16 Ca 0.07 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.62 2e8m n LYS 16 Cb 0.54 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.89 2e8m n LYS 16 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2e8m s LYS 17 N -0.82 1.33 -0.14 1.97 1.02 -1.26 -5.13 119.74 116.71 2e8m s LYS 17 Ca 0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.67 2e8m s LYS 17 Cb 0.00 -1.38 -0.05 0.00 -0.52 0.00 0.00 37.83 35.89 2e8m s LYS 17 CO 0.00 -0.20 0.24 0.12 -0.92 0.00 0.00 175.35 174.59 2e8m s PHE 18 N 1.50 3.52 0.33 3.18 5.36 -1.26 -5.09 117.98 125.51 2e8m s PHE 18 Ca 0.00 0.58 0.03 0.00 -0.96 0.00 0.00 56.93 56.59 2e8m s PHE 18 Cb -0.13 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 2e8m s PHE 18 CO -0.05 0.41 0.49 -1.01 -1.46 0.00 0.00 175.22 173.60 2e8m s HIS 19 N -0.09 3.34 0.20 10.12 3.76 -1.26 -5.12 115.29 126.24 2e8m s HIS 19 Ca 0.15 0.07 0.09 0.00 -0.15 0.00 0.00 55.06 55.22 2e8m s HIS 19 Cb -0.13 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 2e8m s HIS 19 CO 0.04 0.11 -0.08 0.14 -0.85 0.00 0.00 174.74 174.09 2e8m s VAL 20 N -2.21 3.19 0.80 -0.90 -7.23 -1.26 -5.13 120.40 107.66 2e8m s VAL 20 Ca 0.41 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 2e8m s VAL 20 Cb -0.09 -2.61 0.08 0.00 0.56 0.00 0.00 36.38 34.31 2e8m s VAL 20 CO 0.33 -0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.87 2e8m s PRO 21 N -3.04 2.00 0.06 4.82 0.04 -1.26 -5.06 135.00 132.57 2e8m s PRO 21 Ca 0.26 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.44 2e8m s PRO 21 Cb -0.08 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2e8m s PRO 21 CO 0.16 -1.80 -0.07 1.03 0.04 0.00 0.00 177.00 176.36 2e8m s ARG 22 N -4.91 2.38 0.01 4.56 0.52 -1.26 -5.13 118.95 115.13 2e8m s ARG 22 Ca 0.62 -0.87 -0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2e8m s ARG 22 Cb -0.17 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2e8m s ARG 22 CO 0.56 0.55 0.19 -1.14 0.02 0.00 0.00 175.30 175.49 2e8m s GLN 23 N -1.93 3.44 -0.09 3.54 0.74 -1.26 -5.08 119.66 119.03 2e8m s GLN 23 Ca 0.21 -0.35 -0.27 0.00 0.05 0.00 0.00 55.36 55.00 2e8m s GLN 23 Cb -0.11 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.90 2e8m s GLN 23 CO 0.12 0.65 0.88 0.54 -0.55 0.00 0.00 175.29 176.94 2e8m s ASN 24 N -2.10 7.13 0.09 6.67 2.20 -1.26 -5.05 114.94 122.62 2e8m s ASN 24 Ca 0.30 1.38 0.05 0.00 -0.94 0.00 0.00 52.86 53.65 2e8m s ASN 24 Cb -0.13 -2.50 -0.03 0.00 -2.00 0.00 0.00 41.25 36.59 2e8m s ASN 24 CO 0.21 -0.32 -0.14 0.68 -2.94 0.00 0.00 177.10 174.60 2e8m s VAL 25 N 1.55 1.16 0.87 3.54 -7.23 -1.26 -5.15 120.40 113.88 2e8m s VAL 25 Ca 0.44 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 2e8m s VAL 25 Cb -0.18 -1.24 0.11 0.00 0.56 0.00 0.00 36.38 35.63 2e8m s VAL 25 CO 0.19 -0.31 1.09 -2.16 -0.31 0.00 0.00 175.10 173.59 2e8m s PRO 26 N -2.12 1.48 0.08 4.82 0.04 -1.26 -4.98 135.00 133.05 2e8m s PRO 26 Ca 0.02 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 2e8m s PRO 26 Cb -0.08 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2e8m s PRO 26 CO 0.02 -2.11 1.18 0.08 0.04 0.00 0.00 177.00 176.22 2e8m s VAL 27 N -2.93 4.00 -0.03 -0.36 1.01 -1.26 -5.03 120.40 115.79 2e8m s VAL 27 Ca 0.63 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 64.07 2e8m s VAL 27 Cb -0.18 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2e8m s VAL 27 CO 0.57 0.14 0.08 -0.63 0.00 0.00 0.00 175.10 175.26 2e8m s ILE 28 N 0.82 4.81 0.05 2.22 -1.09 -1.26 -5.11 121.20 121.64 2e8m s ILE 28 Ca 0.57 -0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 58.57 2e8m s ILE 28 Cb -0.30 -3.16 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2e8m s ILE 28 CO 0.30 0.43 0.29 0.20 -1.23 0.00 0.00 174.94 174.93 2e8m s ASN 29 N -1.52 -0.09 0.09 3.58 0.01 -1.26 -5.00 114.94 110.76 2e8m s ASN 29 Ca 0.21 -0.26 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 2e8m s ASN 29 Cb -0.12 0.36 -0.03 0.00 0.41 0.00 0.00 41.25 41.86 2e8m s ASN 29 CO 0.11 -0.64 -0.13 0.27 -1.51 0.00 0.00 177.10 175.20 2e8m s ILE 30 N -2.77 1.12 0.37 0.60 -4.36 -1.26 -4.98 121.20 109.93 2e8m s ILE 30 Ca -0.03 -1.51 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 2e8m s ILE 30 Cb -0.00 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.41 2e8m s ILE 30 CO -0.05 -0.37 0.17 0.42 0.24 0.00 0.00 174.94 175.35 2e8m s THR 31 N -1.83 0.42 0.14 8.37 -4.23 -1.26 -4.87 115.64 112.37 2e8m s THR 31 Ca 0.03 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.87 2e8m s THR 31 Cb -0.07 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.71 2e8m s THR 31 CO 0.02 0.00 2.01 1.88 -0.54 0.00 0.00 174.62 177.99 2e8m h TYR 32 N 1.95 0.00 -0.79 3.99 0.05 -1.95 -2.28 116.97 117.94 2e8m h TYR 32 Ca -0.33 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.88 2e8m h TYR 32 Cb 1.26 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.60 2e8m h TYR 32 CO 1.45 0.00 -0.46 -0.25 -1.05 0.00 0.00 178.16 177.85 2e8m n ASP 33 N -2.76 5.45 -4.99 3.88 8.00 -1.26 -3.14 116.55 121.74 2e8m n ASP 33 Ca -0.01 -3.76 -0.19 0.00 0.71 0.00 0.00 54.79 51.54 2e8m n ASP 33 Cb 0.15 -0.47 0.02 0.00 -0.02 0.00 0.00 41.12 40.79 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e8m s SER 34 N -3.23 5.61 0.23 -2.24 0.01 -0.86 -4.99 113.70 108.23 2e8m s SER 34 Ca 0.54 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.59 2e8m s SER 34 Cb 0.43 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 2e8m s SER 34 CO 0.03 -0.82 0.42 0.42 0.41 0.00 0.00 173.24 173.70 2e8m s THR 35 N -2.47 5.18 -1.19 1.44 -4.23 -1.26 -3.08 115.64 110.04 2e8m s THR 35 Ca 0.54 -0.39 0.14 0.00 -1.18 0.00 0.00 61.69 60.80 2e8m s THR 35 Cb -0.10 -3.76 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2e8m s THR 35 CO 0.35 -0.25 1.43 -0.81 -0.54 0.00 0.00 174.62 174.80 2e8m n PRO 36 N -0.90 0.09 0.00 3.99 -0.04 -1.26 -2.26 135.00 134.62 2e8m n PRO 36 Ca -0.05 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2e8m n PRO 36 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 2e8m n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e8m n GLU 37 N -1.41 0.64 0.08 0.54 1.02 -1.26 -4.04 120.64 116.21 2e8m n GLU 37 Ca 0.05 0.11 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 2e8m n GLU 37 Cb 0.14 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2e8m h ASP 38 N 0.00 0.69 -0.75 1.62 3.32 -1.83 -3.26 116.42 116.20 2e8m h ASP 38 Ca -0.20 -0.61 0.05 0.00 0.02 0.00 0.00 57.03 56.29 2e8m h ASP 38 Cb 1.60 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.89 2e8m h ASP 38 CO 0.03 1.42 0.50 0.58 -1.72 0.00 0.00 179.24 180.05 2e8m h VAL 39 N 0.24 1.08 -0.46 -1.35 2.07 -1.71 -1.28 116.25 114.84 2e8m h VAL 39 Ca -0.13 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.17 2e8m h VAL 39 Cb 1.77 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 2e8m h VAL 39 CO 0.20 0.16 0.07 0.50 0.02 0.00 0.00 177.57 178.52 2e8m h LYS 40 N 0.87 0.19 -0.14 1.57 3.64 -1.71 -0.96 116.57 120.02 2e8m h LYS 40 Ca 0.31 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.49 2e8m h LYS 40 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2e8m h LYS 40 CO -0.10 0.12 -0.71 1.15 -2.27 0.00 0.00 179.45 177.65 2e8m h THR 41 N 0.19 1.32 -0.48 1.00 2.02 -1.55 -2.84 112.91 112.58 2e8m h THR 41 Ca 0.23 -1.99 0.06 0.00 0.77 0.00 0.00 66.41 65.48 2e8m h THR 41 Cb 0.31 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2e8m h THR 41 CO -0.32 0.62 0.32 -0.25 0.37 0.00 0.00 175.52 176.26 2e8m h TRP 42 N 0.43 0.39 0.08 3.16 7.01 -0.53 0.20 115.95 126.68 2e8m h TRP 42 Ca -0.03 0.01 -0.23 0.00 2.11 0.00 0.00 58.89 60.76 2e8m h TRP 42 Cb 1.30 -0.13 0.02 0.00 -2.10 0.00 0.00 29.16 28.25 2e8m h TRP 42 CO 0.06 0.21 -0.93 -0.07 -2.79 0.00 0.00 178.44 174.92 2e8m h LEU 43 N 0.39 0.68 -0.31 0.65 3.38 -1.13 -3.17 115.31 115.79 2e8m h LEU 43 Ca 0.21 -0.83 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 2e8m h LEU 43 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2e8m h LEU 43 CO -0.05 1.44 0.04 1.56 0.09 0.00 0.00 178.44 181.51 2e8m h GLN 44 N 0.02 0.52 -0.33 1.13 1.08 -1.14 -1.87 115.11 114.51 2e8m h GLN 44 Ca -0.14 -0.15 0.07 0.00 -1.45 0.00 0.00 58.65 56.98 2e8m h GLN 44 Cb 1.65 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.95 2e8m h GLN 44 CO 0.18 0.63 -0.13 1.03 -0.95 0.00 0.00 178.83 179.59 2e8m h SER 45 N 0.34 -0.46 -0.03 1.46 0.87 -0.74 0.12 113.55 115.11 2e8m h SER 45 Ca 0.09 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2e8m h SER 45 Cb 0.37 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2e8m h SER 45 CO 0.01 -0.17 0.03 0.11 -0.53 0.00 0.00 176.83 176.28 2e8m h LYS 46 N -0.07 0.00 0.00 2.24 1.79 -1.51 -3.46 116.57 115.56 2e8m h LYS 46 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2e8m h LYS 46 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2e8m h LYS 46 CO -0.38 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.40 2e8m n GLY 47 N -1.43 0.76 3.90 3.86 0.00 0.40 -5.11 105.19 107.58 2e8m n GLY 47 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2e8m n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e8m s PHE 48 N -1.50 3.54 0.79 1.61 0.08 -0.73 -5.03 117.98 116.74 2e8m s PHE 48 Ca 0.00 0.40 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 2e8m s PHE 48 Cb 0.00 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2e8m s PHE 48 CO 0.00 0.60 0.67 0.27 -0.10 0.00 0.00 175.22 176.66 2e8m n ASN 49 N 0.70 -0.82 0.18 1.36 6.94 -1.26 -4.65 115.26 117.71 2e8m n ASN 49 Ca -0.08 0.54 0.03 0.00 -0.02 0.00 0.00 54.58 55.04 2e8m n ASN 49 Cb 0.52 -1.29 0.33 0.00 -2.36 0.00 0.00 39.78 36.98 2e8m n ASN 49 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2e8m h PRO 50 N -0.73 0.00 0.00 -0.53 0.13 -1.99 -2.84 132.00 126.04 2e8m h PRO 50 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2e8m h PRO 50 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2e8m h PRO 50 CO 0.42 0.42 -0.01 0.28 -0.23 0.00 0.00 178.00 178.88 2e8m h VAL 51 N 0.00 0.36 0.05 1.56 2.07 -2.00 -1.10 116.25 117.19 2e8m h VAL 51 Ca -0.00 -0.03 -0.33 0.00 0.82 0.00 0.00 66.70 67.16 2e8m h VAL 51 Cb 0.81 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2e8m h VAL 51 CO 0.05 0.00 -1.82 0.41 0.02 0.00 0.00 177.57 176.24 2e8m n THR 52 N -3.59 1.63 0.32 2.57 -1.04 -1.08 -3.64 114.28 109.43 2e8m n THR 52 Ca -0.03 -0.36 0.20 0.00 -2.04 0.00 0.00 64.05 61.82 2e8m n THR 52 Cb 0.09 -1.85 1.05 0.00 -1.82 0.00 0.00 70.33 67.80 2e8m n THR 52 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2e8m h VAL 53 N -0.49 0.15 0.19 12.58 2.07 -1.36 0.26 116.25 129.65 2e8m h VAL 53 Ca -0.44 -0.13 -0.28 0.00 0.82 0.00 0.00 66.70 66.67 2e8m h VAL 53 Cb 1.68 1.11 0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2e8m h VAL 53 CO -0.11 0.01 -1.27 0.78 0.02 0.00 0.00 177.57 177.01 2e8m h ASN 54 N 0.00 0.64 0.98 0.57 2.35 -1.36 -0.86 115.58 117.89 2e8m h ASN 54 Ca -0.00 -0.93 -0.18 0.00 -0.55 0.00 0.00 56.30 54.64 2e8m h ASN 54 Cb 0.11 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2e8m h ASN 54 CO 0.00 1.60 -0.86 -1.28 -1.65 0.00 0.00 177.43 175.24 2e8m h SER 55 N -0.10 0.00 -0.36 5.81 0.87 -1.47 -3.24 113.55 115.06 2e8m h SER 55 Ca -0.23 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.25 2e8m h SER 55 Cb 1.93 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.84 2e8m h SER 55 CO 0.20 0.86 0.03 0.18 -0.53 0.00 0.00 176.83 177.57 2e8m n LEU 56 N -3.42 4.32 -1.08 2.23 4.77 0.86 -4.45 117.00 120.23 2e8m n LEU 56 Ca 0.00 -3.22 0.11 0.00 -0.03 0.00 0.00 56.01 52.86 2e8m n LEU 56 Cb 0.85 -0.60 0.21 0.00 -2.33 0.00 0.00 43.42 41.55 2e8m n LEU 56 CO 0.45 0.83 0.68 0.61 -1.33 0.00 0.00 177.39 178.63 2e8m n GLY 57 N -0.59 1.82 0.00 -0.72 0.00 -0.33 -4.27 105.19 101.10 2e8m n GLY 57 Ca 0.27 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.63 2e8m n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e8m n VAL 58 N 1.34 0.00 -3.24 1.61 0.24 -1.26 -4.54 118.33 112.48 2e8m n VAL 58 Ca 0.18 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.34 61.96 2e8m n VAL 58 Cb 0.57 0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 33.40 2e8m n VAL 58 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2e8m s LEU 59 N -3.04 4.48 0.83 1.34 1.43 -1.26 -4.69 118.68 117.76 2e8m s LEU 59 Ca -0.01 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 2e8m s LEU 59 Cb 0.02 -2.91 0.09 0.00 0.03 0.00 0.00 46.19 43.42 2e8m s LEU 59 CO 0.14 0.19 1.10 0.54 0.23 0.00 0.00 176.35 178.55 2e8m s ASN 60 N -0.68 4.21 0.35 2.29 2.20 -1.26 -4.21 114.94 117.84 2e8m s ASN 60 Ca 0.30 1.34 0.10 0.00 -0.94 0.00 0.00 52.86 53.66 2e8m s ASN 60 Cb -0.19 -2.06 0.87 0.00 -2.00 0.00 0.00 41.25 37.87 2e8m s ASN 60 CO 0.18 -2.15 1.81 1.23 -2.94 0.00 0.00 177.10 175.23 2e8m h GLY 61 N -1.21 1.42 1.01 0.45 0.00 -1.68 -0.20 103.07 102.86 2e8m h GLY 61 Ca -0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 2e8m h GLY 61 CO 0.58 -0.03 -0.29 0.00 0.00 0.00 0.00 176.54 176.80 2e8m h ALA 62 N 1.62 -0.81 -0.10 3.60 0.00 -1.62 0.73 119.26 122.69 2e8m h ALA 62 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2e8m h ALA 62 Cb 1.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2e8m h ALA 62 CO -0.30 -0.96 0.06 1.96 0.00 0.00 0.00 179.25 180.01 2e8m h GLN 63 N -0.81 0.12 -0.93 0.00 1.08 -1.70 -2.41 115.11 110.46 2e8m h GLN 63 Ca -0.08 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.19 2e8m h GLN 63 Cb 0.62 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 2e8m h GLN 63 CO 0.14 0.08 0.60 1.25 -0.95 0.00 0.00 178.83 179.94 2e8m h LEU 64 N 0.12 0.89 -2.02 1.46 6.46 -1.01 0.86 115.31 122.07 2e8m h LEU 64 Ca 0.04 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2e8m h LEU 64 Cb -0.01 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2e8m h LEU 64 CO -0.02 0.55 -0.08 -0.26 -0.62 0.00 0.00 178.44 178.01 2e8m h PHE 65 N 1.00 0.00 -0.01 1.25 -1.00 -0.37 -2.10 116.94 115.72 2e8m h PHE 65 Ca 0.41 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 61.02 2e8m h PHE 65 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 2e8m h PHE 65 CO -0.00 0.08 -0.80 1.03 -1.61 0.00 0.00 178.31 177.01 2e8m h SER 66 N 0.00 0.13 -3.37 2.17 0.87 -0.45 -3.44 113.55 109.46 2e8m h SER 66 Ca -0.00 -0.10 -0.52 0.00 -1.23 0.00 0.00 61.79 59.93 2e8m h SER 66 Cb 0.31 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2e8m h SER 66 CO 0.01 0.87 0.58 -0.76 -0.53 0.00 0.00 176.83 177.00 2e8m s LEU 67 N -7.40 4.42 0.00 2.23 1.43 -0.79 -5.02 118.68 113.55 2e8m s LEU 67 Ca -0.02 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 2e8m s LEU 67 Cb 0.11 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2e8m s LEU 67 CO 0.80 -0.43 0.05 -0.46 0.23 0.00 0.00 176.35 176.54 2e8m n ASN 68 N 2.93 0.78 -0.19 2.29 0.23 -1.26 -4.73 115.26 115.31 2e8m n ASN 68 Ca 0.06 -1.15 0.25 0.00 -0.53 0.00 0.00 54.58 53.21 2e8m n ASN 68 Cb 0.45 -0.02 0.65 0.00 -2.08 0.00 0.00 39.78 38.78 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2e8m h LYS 69 N 0.00 0.12 0.03 -3.83 3.64 -1.94 0.25 116.57 114.84 2e8m h LYS 69 Ca -0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2e8m h LYS 69 Cb 0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2e8m h LYS 69 CO 0.04 0.08 -0.01 0.22 -2.27 0.00 0.00 179.45 177.51 2e8m h ASP 70 N 0.13 -0.03 -0.46 4.20 3.58 -1.94 -2.64 116.42 119.26 2e8m h ASP 70 Ca 0.43 -0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.93 2e8m h ASP 70 Cb 1.49 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.47 2e8m h ASP 70 CO -0.06 0.48 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.37 2e8m h GLU 71 N -1.01 0.04 -0.19 0.28 4.39 -1.80 0.17 114.58 116.45 2e8m h GLU 71 Ca -0.00 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2e8m h GLU 71 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2e8m h GLU 71 CO 0.01 0.02 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.75 2e8m h LEU 72 N 0.04 0.26 -0.71 1.33 3.38 -0.68 -1.75 115.31 117.18 2e8m h LEU 72 Ca 0.22 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2e8m h LEU 72 Cb 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2e8m h LEU 72 CO -0.44 0.37 -0.64 -0.09 0.09 0.00 0.00 178.44 177.73 2e8m h ARG 73 N 0.28 0.04 -0.05 1.13 2.43 -0.52 -1.55 114.38 116.13 2e8m h ARG 73 Ca 0.06 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 58.97 2e8m h ARG 73 Cb 0.29 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2e8m h ARG 73 CO 0.01 0.66 -0.86 1.79 -1.51 0.00 0.00 179.97 180.06 2e8m h THR 74 N 0.03 1.30 -0.12 0.20 1.35 -0.07 -3.28 112.91 112.33 2e8m h THR 74 Ca -0.01 -2.11 -0.17 0.00 -0.55 0.00 0.00 66.41 63.57 2e8m h THR 74 Cb 1.13 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 2e8m h THR 74 CO 0.09 0.65 -0.65 1.62 -0.25 0.00 0.00 175.52 176.98 2e8m h VAL 75 N 0.35 1.35 -3.52 6.82 3.04 -1.34 -3.46 116.25 119.50 2e8m h VAL 75 Ca -0.09 -1.99 -0.12 0.00 -1.01 0.00 0.00 66.70 63.49 2e8m h VAL 75 Cb 1.52 1.97 -0.18 0.00 -2.01 0.00 0.00 31.29 32.59 2e8m h VAL 75 CO 0.17 0.60 -0.40 0.00 -1.01 0.00 0.00 177.57 176.93 2e8m h PRO 77 N 3.63 0.00 -0.77 0.00 0.13 -1.81 -2.70 132.00 130.47 2e8m h PRO 77 Ca -0.32 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.69 2e8m h PRO 77 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2e8m h PRO 77 CO 0.46 0.14 0.15 0.39 -0.23 0.00 0.00 178.00 178.91 2e8m n GLU 78 N -3.33 3.44 0.15 0.86 -0.58 -1.26 -4.52 120.64 115.40 2e8m n GLU 78 Ca -0.00 -2.43 -0.14 0.00 -0.42 0.00 0.00 57.16 54.17 2e8m n GLU 78 Cb 0.35 -2.05 -0.07 0.00 -0.57 0.00 0.00 31.44 29.10 2e8m n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2e8m h GLY 79 N 3.47 -0.34 0.46 0.62 0.00 -1.54 0.84 103.07 106.57 2e8m h GLY 79 Ca 0.15 0.15 0.22 0.00 0.00 0.00 0.00 47.33 47.84 2e8m h GLY 79 CO 0.53 -0.14 0.56 0.00 0.00 0.00 0.00 176.54 177.50 2e8m h ALA 80 N 0.44 2.67 0.21 3.60 0.00 -1.79 0.23 119.26 124.62 2e8m h ALA 80 Ca -0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 2e8m h ALA 80 Cb 0.28 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.15 2e8m h ALA 80 CO 0.02 -0.95 -1.66 0.00 0.00 0.00 0.00 179.25 176.66 2e8m h ARG 81 N 0.00 0.44 -0.07 0.00 2.47 -1.71 -3.24 114.38 112.26 2e8m h ARG 81 Ca 0.36 -0.75 -0.01 0.00 -1.26 0.00 0.00 59.98 58.32 2e8m h ARG 81 Cb 1.48 0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 30.07 2e8m h ARG 81 CO -0.00 1.35 -0.00 0.28 0.56 0.00 0.00 179.97 182.15 2e8m h VAL 82 N 0.12 1.26 -0.75 2.04 2.07 0.11 -3.11 116.25 118.00 2e8m h VAL 82 Ca -0.31 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.52 2e8m h VAL 82 Cb 2.12 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 33.48 2e8m h VAL 82 CO 0.21 0.22 0.36 0.22 0.02 0.00 0.00 177.57 178.60 2e8m h TYR 83 N -0.18 0.64 -0.02 1.57 3.20 -0.80 0.27 116.97 121.65 2e8m h TYR 83 Ca 0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2e8m h TYR 83 Cb 0.35 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 2e8m h TYR 83 CO 0.04 0.19 0.05 1.03 -1.64 0.00 0.00 178.16 177.82 2e8m h SER 84 N 0.58 0.00 0.75 -2.11 0.87 -1.57 0.25 113.55 112.31 2e8m h SER 84 Ca 0.39 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2e8m h SER 84 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2e8m h SER 84 CO -0.31 0.00 -1.32 0.00 -0.53 0.00 0.00 176.83 174.67 2e8m n GLN 85 N -3.36 0.62 0.01 2.24 1.13 0.84 -4.13 117.38 114.73 2e8m n GLN 85 Ca -0.02 0.14 -0.11 0.00 -1.94 0.00 0.00 57.00 55.07 2e8m n GLN 85 Cb 0.12 -1.78 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 2e8m n GLN 85 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2e8m h ILE 86 N 0.00 1.01 -0.84 5.09 2.04 0.11 -3.35 117.51 121.57 2e8m h ILE 86 Ca -0.10 -2.80 0.13 0.00 1.00 0.00 0.00 64.86 63.10 2e8m h ILE 86 Cb 1.32 2.55 -0.06 0.00 -0.74 0.00 0.00 36.82 39.88 2e8m h ILE 86 CO 0.02 0.66 0.55 0.00 0.00 0.00 0.00 178.15 179.38 2e8m h THR 87 N 0.02 0.86 0.00 -0.27 1.03 -0.78 0.22 112.91 113.99 2e8m h THR 87 Ca -0.25 -0.23 -0.05 0.00 -0.01 0.00 0.00 66.41 65.88 2e8m h THR 87 Cb 1.98 0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 69.19 2e8m h THR 87 CO 0.10 0.12 -0.25 1.62 -0.01 0.00 0.00 175.52 177.10 2e8m h VAL 88 N 0.66 0.70 0.06 0.00 3.04 -1.74 -1.98 116.25 116.99 2e8m h VAL 88 Ca 0.41 -1.08 -0.12 0.00 -1.01 0.00 0.00 66.70 64.91 2e8m h VAL 88 Cb 0.67 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2e8m h VAL 88 CO -0.17 0.24 -0.56 1.56 -1.01 0.00 0.00 177.57 177.63 2e8m h GLN 89 N 0.00 0.13 -0.86 4.17 1.08 -0.79 -3.14 115.11 115.70 2e8m h GLN 89 Ca -0.00 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2e8m h GLN 89 Cb 0.67 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 2e8m h GLN 89 CO 0.03 1.10 0.49 0.87 -0.95 0.00 0.00 178.83 180.38 2e8m h LYS 90 N -0.71 1.18 0.00 1.46 1.57 -1.12 -1.64 116.57 117.31 2e8m h LYS 90 Ca -0.12 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2e8m h LYS 90 Cb 1.33 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2e8m h LYS 90 CO 0.04 0.85 -0.16 0.00 -0.57 0.00 0.00 179.45 179.60 2e8m h ALA 91 N 1.27 1.29 -0.08 3.86 0.00 -1.49 -0.54 119.26 123.57 2e8m h ALA 91 Ca 0.30 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2e8m h ALA 91 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2e8m h ALA 91 CO -0.05 0.20 -0.64 0.00 0.00 0.00 0.00 179.25 178.76 2e8m h ALA 92 N 1.84 0.77 0.16 0.00 0.00 -1.25 -3.26 119.26 117.52 2e8m h ALA 92 Ca -0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 54.91 54.02 2e8m h ALA 92 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2e8m h ALA 92 CO 0.02 0.74 -1.63 -0.07 0.00 0.00 0.00 179.25 178.31 2e8m h LEU 93 N 0.22 0.52 0.00 0.00 3.38 -1.19 -3.47 115.31 114.77 2e8m h LEU 93 Ca -0.01 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 2e8m h LEU 93 Cb 1.17 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.77 2e8m h LEU 93 CO 0.10 1.62 -0.01 -1.54 0.09 0.00 0.00 178.44 178.71 2e8m n SER 94 N -3.53 -1.78 -4.18 -0.43 3.41 -0.26 -5.08 113.62 101.77 2e8m n SER 94 Ca -0.20 -0.29 -0.22 0.00 -0.26 0.00 0.00 58.87 57.90 2e8m n SER 94 Cb 1.06 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.81 2e8m n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e8m s GLY 95 N -2.36 2.23 -0.43 5.00 0.00 -1.26 -4.98 107.32 105.52 2e8m s GLY 95 Ca 0.08 -1.65 -0.28 0.00 0.00 0.00 0.00 44.72 42.87 2e8m s GLY 95 CO 0.06 -1.73 1.75 2.56 0.00 0.00 0.00 173.10 175.74 2e8m s PRO 96 N -3.82 3.17 1.43 2.90 0.04 -1.26 -4.82 135.00 132.64 2e8m s PRO 96 Ca 0.32 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2e8m s PRO 96 Cb 0.05 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2e8m s PRO 96 CO 0.15 -2.06 0.00 0.45 0.04 0.00 0.00 177.00 175.58 2e8m n SER 97 N 10.76 -4.56 0.02 6.66 2.88 -1.26 -4.31 113.62 123.81 2e8m n SER 97 Ca 0.21 0.06 -0.12 0.00 -1.33 0.00 0.00 58.87 57.69 2e8m n SER 97 Cb 0.49 -0.16 -0.14 0.00 -0.75 0.00 0.00 64.21 63.65 2e8m n SER 97 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2e8m h SER 98 N -0.05 0.15 -0.01 -3.46 0.87 -2.06 -3.53 113.55 105.45 2e8m h SER 98 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2e8m h SER 98 Cb 0.05 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2e8m h SER 98 CO 0.00 1.21 0.00 0.61 -0.53 0.00 0.00 176.83 178.12